SCHEMBL7754138

SCHEMBL7754138

NC(=O)CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.72
DRD2 P14416 4/20 0.52
DRD3 P35462 4/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD4 P21917 3/20 0.49
NPC1L1 Q9UHC9 8/20 0.48
DDR1 Q08345 2/20 0.47
BDKRB2 P30411 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7760188 0.91 OPRL1 (0.64) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL7992795 0.90 OPRL1 (0.76) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL5095004 0.90 OPRL1 (0.70) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL5108205 0.90 OPRL1 (0.72) OPRL1DRD2DRD3OPRM1OPRD1
Hydrochloric Acid SCHEMBL7758893 0.89 OPRL1 (0.71) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL7757070 0.88 OPRL1 (0.68) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL5101780 0.88 OPRL1 (0.70) OPRL1DRD2DRD3OPRM1OPRD1
Hydrochloric Acid SCHEMBL7992890 0.87 OPRL1 (0.69) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL7994135 0.87 OPRL1 (0.68) OPRL1DRD2DRD3OPRM1OPRD1
SCHEMBL7754117 0.86 OPRL1 (0.81) OPRL1DRD2DRD3OPRM1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277991-B1 FOR TREATMENT OF MIGRAINE, NON-INSULIN DEPENDENT DIABETES MELLITUS, SEPSIS, INFLAMMATION, INCONTINENCE, VASOMOTOR DISTURBANCES SUCH AS HOT FLUSHES OR HOT FLASHES NOVO NORDISK A/S (DK) 2001-08-21 US claimed
EP-1080091-A1 NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES Novo Nordisk A/S (DK) 2001-03-07 EP claimed
WO-1999059997-A1 NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES NOVO NORDISK A/S (DK) 1999-11-25 WO claimed
US-6277991-B1 FOR TREATMENT OF MIGRAINE, NON-INSULIN DEPENDENT DIABETES MELLITUS, SEPSIS, INFLAMMATION, INCONTINENCE, VASOMOTOR DISTURBANCES SUCH AS HOT FLUSHES OR HOT FLASHES NOVO NORDISK A/S (DK) 2001-08-21 US disclosed